1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C13H25F3N2S — CID 112658617

IUPAC1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCC(C)N(C)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2S/c1-10(8-19-3)18(2)12(9-17)6-4-5-11(7-12)13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyNSBLPHKOFHUEBM-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.12
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 112658617) has the molecular formula C13H25F3N2S and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID112658617
Molecular FormulaC13H25F3N2S
Molecular Weight298.42 g/mol
Exact Mass298.17
IUPAC Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCSCC(C)N(C)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2S/c1-10(8-19-3)18(2)12(9-17)6-4-5-11(7-12)13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyNSBLPHKOFHUEBM-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N-methylthiolan-3-amine
CID 64753687
[1-(3-Methylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755507
1-(aminomethyl)-N-(2-methylpropyl)-N-propan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757010
N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64757406
[1-Thiomorpholin-4-yl-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757603
[1-(3-Methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757611
[1-(1,4-Thiazepan-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757807
[1-(2,6-Dimethylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757811
1-(aminomethyl)-N-ethyl-N-propan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758009
1-(aminomethyl)-N-propan-2-yl-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758417
1-(aminomethyl)-N-butan-2-yl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758625
1-(aminomethyl)-N-butan-2-yl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758832

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 112658617) is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is CSCC(C)N(C)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NSBLPHKOFHUEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2S/c1-10(8-19-3)18(2)12(9-17)6-4-5-11(7-12)13(14,15)16/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 298.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 112658617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).